Ether

Ether

SCHEMBL10839845

CCCC(=O)OC(C)C.CCOCC

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NOTUM Q6P988 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
CYP2D6 P10635 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30366016 0.91 LMNA (0.68) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL120124 0.91
Hydrochloric Acid SCHEMBL10792640 0.89 LMNA (0.65) LMNAALDH1A1TSHRMAPTMAPK1
Acetone SCHEMBL2960216 0.86 LMNA (0.63) LMNAALDH1A1TSHRMAPTMAPK1
Cyclohexane SCHEMBL27452018 0.84 LMNA (0.61) LMNAALDH1A1TSHRMAPTMAPK1
Chloroform SCHEMBL4677155 0.84 LMNA (0.61) LMNAALDH1A1TSHRMAPTMAPK1
Isopropyl Palmitate SCHEMBL10654442 0.84 LMNA (0.85) LMNAALDH1A1TSHRMAPTMAPK1
SCHEMBL3760781 0.83 LMNA (0.53) LMNAALDH1A1TSHRMAPTMAPK1
Butyric Acid SCHEMBL28683379 0.83 LMNA (0.59) LMNAALDH1A1TSHRALOX15FFAR3
Carbamic Acid SCHEMBL27876791 0.83 LMNA (0.59) LMNAALDH1A1TSHRMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585785-A HYPOTENSIVES, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1986-04-29 US disclosed
US-4452809-A ANTIARRHYMIA, HYPOTENSIVE AGENTS A. H. ROBINS COMPANY, INC. (US) 1984-06-05 US disclosed